SCHEMBL14874802

SCHEMBL14874802

CCCCCCOC(=O)ON1CCC(c2nc(COc3ccc(-n4cnnn4)cc3)cs2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.64
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.39
POLB P06746 5/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRB2 P07550 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14874864 1.00 GPR119 (0.64) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL14874816 0.99 GPR119 (0.65) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL14874892 0.98 GPR119 (0.65) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL3489560 0.89 GPR119 (0.75) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL3487835 0.89 GPR119 (0.75) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL14874904 0.88 GPR119 (0.66) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL3488858 0.88 GPR119 (0.76) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL3489287 0.88 GPR119 (0.77) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL14874971 0.86 GPR119 (0.63) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL14874928 0.86 GPR119 (0.79) GPR119ALDH1A1KMT2AMEN1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111107-B1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC (US) 2013-04-24 EP claimed